3-[2-(4-bromanyl-2,3,5-trimethyl-phenoxy)ethoxy]benzoate

Systemtic Name: 3-[2-(4-bromanyl-2,3,5-trimethyl-phenoxy)ethoxy]benzoate Openeye Name: 3-[2-(4-bromo-2,3,5-trimethyl-phenoxy)ethoxy]benzoate CAS Name: 3-[2-(4-bromo-2,3,5-trimethylphenoxy)ethoxy]benzoate IUPAC Name: 3-[2-(4-bromo-2,3,5-trimethylphenoxy)ethoxy]benzoate Traditional Name: 3-[2-(4-bromo-2,3,5-trimethyl-phenoxy)ethoxy]benzoate Formula: C18H18BrO4- MolecularWeight: 378.23712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Br)C)C)OCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1Br)C)C)OCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C18H19BrO4/c1-11-9-16(12(2)13(3)17(11)19)23-8-7-22-15-6-4-5-14(10-15)18(20)21/h4-6,9-10H,7-8H2,1-3H3,(H,20,21)/p-1